(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

C16H17ClN2O4S — CID 1000043

IUPAC(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-11(17)16(20)18-12-5-9-15(10-6-12)24(21,22)19-13-3-7-14(23-2)8-4-13/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyAWEDOOMVQVNAQD-LLVKDONJSA-N
MW368.84 g/mol
LogP3.06
Rot. Bonds6

About (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide

(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 1000043) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID1000043
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)cc1
InChIInChI=1S/C16H17ClN2O4S/c1-11(17)16(20)18-12-5-9-15(10-6-12)24(21,22)19-13-3-7-14(23-2)8-4-13/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyAWEDOOMVQVNAQD-LLVKDONJSA-N
XLogP3.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
(2R)-2-(4-methoxyphenoxy)-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 41479035
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 4939891
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 4953580
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42966975
[1-(4-methylanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 42977439
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
(2S)-2-(2-ethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 94012374
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide (CID 1000043) is (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Cl)cc2)cc1.
What is the InChIKey of (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is AWEDOOMVQVNAQD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-11(17)16(20)18-12-5-9-15(10-6-12)24(21,22)19-13-3-7-14(23-2)8-4-13/h3-11,19H,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide?
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 368.84 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 1000043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).