4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide

C11H16N2O4S2 — CID 64987508

IUPAC4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1NS(=O)(=O)CC1CC1
InChIInChI=1S/C11H16N2O4S2/c1-8-6-10(19(12,16)17)4-5-11(8)13-18(14,15)7-9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H2,12,16,17)
InChIKeyHCPVTOAOLHBYRL-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.79
Rot. Bonds5

About 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide

4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide (PubChem CID 64987508) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
PubChem CID64987508
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)ccc1NS(=O)(=O)CC1CC1
InChIInChI=1S/C11H16N2O4S2/c1-8-6-10(19(12,16)17)4-5-11(8)13-18(14,15)7-9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H2,12,16,17)
InChIKeyHCPVTOAOLHBYRL-UHFFFAOYSA-N
XLogP0.79
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethylsulfonylamino)-3-methylbenzoic acid
CID 64987418
4-(butylsulfonylamino)-3-methylbenzenesulfonamide
CID 43246859
N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
CID 64988981
1-cyclopropyl-N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]methanesulfonamide
CID 64989273
2-cyclobutyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 103164399
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
N-(2-methylphenyl)-1-piperidin-4-ylmethanesulfonamide
CID 54974058
1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
CID 107745957
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
CID 133319384
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide (CID 64987508) is 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)ccc1NS(=O)(=O)CC1CC1.
What is the InChIKey of 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide?
The InChIKey is HCPVTOAOLHBYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-8-6-10(19(12,16)17)4-5-11(8)13-18(14,15)7-9-2-3-9/h4-6,9,13H,2-3,7H2,1H3,(H2,12,16,17).
What are the key properties of 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide?
4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide is sourced from PubChem (CID 64987508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).