3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C18H18Cl2N2O3S — CID 55894997

IUPAC3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCCC1
InChIInChI=1S/C18H18Cl2N2O3S/c1-12-5-4-6-16(17(12)18(23)22-9-2-3-10-22)21-26(24,25)13-7-8-14(19)15(20)11-13/h4-8,11,21H,2-3,9-10H2,1H3
InChIKeyHDZCBLGFIRBKHV-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.34
Rot. Bonds4

About 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 55894997) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID55894997
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCCC1
InChIInChI=1S/C18H18Cl2N2O3S/c1-12-5-4-6-16(17(12)18(23)22-9-2-3-10-22)21-26(24,25)13-7-8-14(19)15(20)11-13/h4-8,11,21H,2-3,9-10H2,1H3
InChIKeyHDZCBLGFIRBKHV-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4,5-dimethoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55895758
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
2-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-4-nitrobenzenesulfonamide
CID 55894867
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
CID 58892095
2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
CID 55714655
4-chloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 39837850
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824
5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55776635
3-(1,4-diazepane-1-carbonyl)-4-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 119416470
N-(4-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063323
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
1-N,3-N-bis(3-chloro-2-methylphenyl)-4-hydroxy-5-(pyrrolidine-1-carbonyl)benzene-1,3-disulfonamide
CID 145497981

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 55894997) is 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1C(=O)N1CCCC1.
What is the InChIKey of 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is HDZCBLGFIRBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-12-5-4-6-16(17(12)18(23)22-9-2-3-10-22)21-26(24,25)13-7-8-14(19)15(20)11-13/h4-8,11,21H,2-3,9-10H2,1H3.
What are the key properties of 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 413.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 55894997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).