N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide

C11H17ClN2O2S — CID 43708221

IUPACN-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
SMILESCC(C)CNc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-8(2)7-13-11-6-9(4-5-10(11)12)14-17(3,15)16/h4-6,8,13-14H,7H2,1-3H3
InChIKeyIVNSOQOEIKKDMV-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.78
Rot. Bonds5

About N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide

N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide (PubChem CID 43708221) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
PubChem CID43708221
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC NameN-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
SMILESCC(C)CNc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-8(2)7-13-11-6-9(4-5-10(11)12)14-17(3,15)16/h4-6,8,13-14H,7H2,1-3H3
InChIKeyIVNSOQOEIKKDMV-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(3-methylbutylamino)phenyl]methanesulfonamide
CID 43708233
N-[2-chloro-5-(methanesulfonamido)phenyl]propane-2-sulfonamide
CID 62999677
N-[4-chloro-3-(2-methylpropylamino)phenyl]acetamide
CID 154354930
N-[4-chloro-3-(pentan-2-ylamino)phenyl]methanesulfonamide
CID 43708281
N-[3-[(4-bromothiophen-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 43708393
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
N-[2-chloro-5-(methanesulfonamido)phenyl]-2-propan-2-yloxyacetamide
CID 115949813
N-[4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66397679
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 106885182
N-[4-chloro-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107123951
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide (CID 43708221) is N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide is CC(C)CNc1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide?
The InChIKey is IVNSOQOEIKKDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-8(2)7-13-11-6-9(4-5-10(11)12)14-17(3,15)16/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide?
N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43708221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).