N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide

C10H15ClN2O4S2 — CID 62999677

IUPACN-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C10H15ClN2O4S2/c1-7(2)19(16,17)13-10-6-8(4-5-9(10)11)12-18(3,14)15/h4-7,12-13H,1-3H3
InChIKeyFRUXULCNKNWMEX-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.86
Rot. Bonds5

About N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide

N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide (PubChem CID 62999677) has the molecular formula C10H15ClN2O4S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
PubChem CID62999677
Molecular FormulaC10H15ClN2O4S2
Molecular Weight326.83 g/mol
Exact Mass326.02
IUPAC NameN-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C10H15ClN2O4S2/c1-7(2)19(16,17)13-10-6-8(4-5-9(10)11)12-18(3,14)15/h4-7,12-13H,1-3H3
InChIKeyFRUXULCNKNWMEX-UHFFFAOYSA-N
XLogP1.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)propane-2-sulfonamide
CID 62999639
N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43708221
N-(3,4-dichlorophenyl)propane-2-sulfonamide
CID 62999267
N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
CID 43708233
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
CID 43708281
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
CID 115949813
N-[4-chloro-3-(cyclopentylamino)phenyl]methanesulfonamide
CID 43708204
2-chloro-4-(propan-2-ylsulfonylamino)benzenesulfonyl chloride
CID 60858307
N-(4-chloro-3-nitrophenyl)propane-2-sulfonamide
CID 62999282
N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide
CID 79537742

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide (CID 62999677) is N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide?
The InChIKey is FRUXULCNKNWMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S2/c1-7(2)19(16,17)13-10-6-8(4-5-9(10)11)12-18(3,14)15/h4-7,12-13H,1-3H3.
What are the key properties of N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide?
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide has a molecular weight of 326.83 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 62999677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).