N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide

C8H11ClN2O4S2 — CID 5120140

IUPACN-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O4S2/c1-16(12,13)10-6-3-4-8(7(9)5-6)11-17(2,14)15/h3-5,10-11H,1-2H3
InChIKeyRRMCZISFYUGUER-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.08
Rot. Bonds4

About N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide

N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide (PubChem CID 5120140) has the molecular formula C8H11ClN2O4S2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
PubChem CID5120140
Molecular FormulaC8H11ClN2O4S2
Molecular Weight298.77 g/mol
Exact Mass297.98
IUPAC NameN-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C8H11ClN2O4S2/c1-16(12,13)10-6-3-4-8(7(9)5-6)11-17(2,14)15/h3-5,10-11H,1-2H3
InChIKeyRRMCZISFYUGUER-UHFFFAOYSA-N
XLogP1.08
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
CID 65337880
N-[2-chloro-4-[(2-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 43744735
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 39329194
N-[2-chloro-4-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675322
N-[2-chloro-4-[(4-hydroxycyclohexyl)amino]phenyl]methanesulfonamide
CID 106594192
2-bromo-N-[3-chloro-4-(methanesulfonamido)phenyl]butanamide
CID 62855661
N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
CID 43744752
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 35545776

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide?
The IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide (CID 5120140) is N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide?
The InChIKey is RRMCZISFYUGUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O4S2/c1-16(12,13)10-6-3-4-8(7(9)5-6)11-17(2,14)15/h3-5,10-11H,1-2H3.
What are the key properties of N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide?
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide has a molecular weight of 298.77 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide is sourced from PubChem (CID 5120140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).