(3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid

C17H18ClN3O6S — CID 142391141

IUPAC(3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)CN(C(=O)O)[C@H](C)CO2
InChIInChI=1S/C17H18ClN3O6S/c1-10-9-27-16-11(8-21(10)17(22)23)5-13(7-19-16)20-28(24,25)15-6-12(18)3-4-14(15)26-2/h3-7,10,20H,8-9H2,1-2H3,(H,22,23)/t10-/m1/s1
InChIKeyYEXQXXYAYMEUHF-SNVBAGLBSA-N
MW427.87 g/mol
LogP2.81
Rot. Bonds4

About (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid

(3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid (PubChem CID 142391141) has the molecular formula C17H18ClN3O6S and a molecular weight of 427.87 g/mol. Its IUPAC name is (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid
PubChem CID142391141
Molecular FormulaC17H18ClN3O6S
Molecular Weight427.87 g/mol
Exact Mass427.06
IUPAC Name(3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)CN(C(=O)O)[C@H](C)CO2
InChIInChI=1S/C17H18ClN3O6S/c1-10-9-27-16-11(8-21(10)17(22)23)5-13(7-19-16)20-28(24,25)15-6-12(18)3-4-14(15)26-2/h3-7,10,20H,8-9H2,1-2H3,(H,22,23)/t10-/m1/s1
InChIKeyYEXQXXYAYMEUHF-SNVBAGLBSA-N
XLogP2.81
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.87
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid with MolForge

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Related Compounds

5-chloro-2-methoxy-N-[(7S)-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-yl]benzenesulfonamide
CID 146444116
(3R)-7-[(5-chloro-2-methoxyphenyl)sulfinylamino]-3-methyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxamide
CID 142391130
N-[(3S)-5-(2-aminoethenyl)-3-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-yl]-5-chloro-2-methoxybenzenesulfonamide
CID 142390213
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298753
5-chloro-2-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 113009843
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-[(3S)-4-[(2,4-dimethoxyphenyl)methyl]-5-oxo-3-(phenylmethoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-7-yl]-2-methoxybenzenesulfonamide
CID 130238154
5-chloro-N-[(5S,7R)-5-hydroxy-2-oxo-9-oxa-3,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 146444080
5-chloro-N-[4-[(2,4-dimethoxyphenyl)methyl]-5-oxospiro[2H-pyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]-7-yl]-2-methoxybenzenesulfonamide
CID 130238082

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid?
The IUPAC name of (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid (CID 142391141) is (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid.
What is the SMILES notation for (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid?
The canonical SMILES for (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid is COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)CN(C(=O)O)[C@H](C)CO2.
What is the InChIKey of (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid?
The InChIKey is YEXQXXYAYMEUHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18ClN3O6S/c1-10-9-27-16-11(8-21(10)17(22)23)5-13(7-19-16)20-28(24,25)15-6-12(18)3-4-14(15)26-2/h3-7,10,20H,8-9H2,1-2H3,(H,22,23)/t10-/m1/s1.
What are the key properties of (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid?
(3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid has a molecular weight of 427.87 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-methyl-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylic acid is sourced from PubChem (CID 142391141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).