2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C19H22ClN3O6S2 — CID 55389383

IUPAC2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O6S2/c1-22(29-2)30(25,26)15-7-5-14(6-8-15)21-19(24)17-13-16(9-10-18(17)20)31(27,28)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyAPMSSVQNLCCYPS-UHFFFAOYSA-N
MW487.99 g/mol
LogP2.56
Rot. Bonds7

About 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55389383) has the molecular formula C19H22ClN3O6S2 and a molecular weight of 487.99 g/mol. Its IUPAC name is 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55389383
Molecular FormulaC19H22ClN3O6S2
Molecular Weight487.99 g/mol
Exact Mass487.06
IUPAC Name2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O6S2/c1-22(29-2)30(25,26)15-7-5-14(6-8-15)21-19(24)17-13-16(9-10-18(17)20)31(27,28)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24)
InChIKeyAPMSSVQNLCCYPS-UHFFFAOYSA-N
XLogP2.56
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.99
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55389570
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2-chloro-N-(4-cyclopentyloxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 46570003
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55389383) is 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide is CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is APMSSVQNLCCYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O6S2/c1-22(29-2)30(25,26)15-7-5-14(6-8-15)21-19(24)17-13-16(9-10-18(17)20)31(27,28)23-11-3-4-12-23/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 487.99 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[methoxy(methyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55389383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).