N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C17H16ClN3O6S — CID 30400695

IUPACN-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C17H16ClN3O6S/c1-27-16-7-5-12(10-15(16)20-8-2-3-17(20)22)28(25,26)19-14-9-11(21(23)24)4-6-13(14)18/h4-7,9-10,19H,2-3,8H2,1H3
InChIKeyUDMSWPPOIWRFLK-UHFFFAOYSA-N
MW425.85 g/mol
LogP3.18
Rot. Bonds6

About N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 30400695) has the molecular formula C17H16ClN3O6S and a molecular weight of 425.85 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID30400695
Molecular FormulaC17H16ClN3O6S
Molecular Weight425.85 g/mol
Exact Mass425.04
IUPAC NameN-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C17H16ClN3O6S/c1-27-16-7-5-12(10-15(16)20-8-2-3-17(20)22)28(25,26)19-14-9-11(21(23)24)4-6-13(14)18/h4-7,9-10,19H,2-3,8H2,1H3
InChIKeyUDMSWPPOIWRFLK-UHFFFAOYSA-N
XLogP3.18
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43904484
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
2-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7687142
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284127
3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 17495368
4-methoxy-N,N-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38015477
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 28633920
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 92676550
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823558

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 30400695) is N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCC1=O.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is UDMSWPPOIWRFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O6S/c1-27-16-7-5-12(10-15(16)20-8-2-3-17(20)22)28(25,26)19-14-9-11(21(23)24)4-6-13(14)18/h4-7,9-10,19H,2-3,8H2,1H3.
What are the key properties of N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 425.85 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 30400695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).