2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide

C14H21ClN2O3S — CID 102701595

IUPAC2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(CNC2CC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-10(20-2)8-17-21(18,19)14-7-11(3-6-13(14)15)9-16-12-4-5-12/h3,6-7,10,12,16-17H,4-5,8-9H2,1-2H3
InChIKeyYTWIDQDNFQEVFN-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.91
Rot. Bonds8

About 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide

2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102701595) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102701595
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(CNC2CC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-10(20-2)8-17-21(18,19)14-7-11(3-6-13(14)15)9-16-12-4-5-12/h3,6-7,10,12,16-17H,4-5,8-9H2,1-2H3
InChIKeyYTWIDQDNFQEVFN-UHFFFAOYSA-N
XLogP1.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701683
N-[[3-chloro-4-(2-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 113382701
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 115409035
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102701408
2-chloro-5-(4-hydroxy-3-methyl-2-methylimino-1,3-thiazolidin-4-yl)-N-(2-methoxypropyl)benzenesulfonamide
CID 22760409
2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701358
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
CID 106024888
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
5-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102915813
5-(aminomethyl)-N-(2-methoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 102701453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide (CID 102701595) is 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide is COC(C)CNS(=O)(=O)c1cc(CNC2CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is YTWIDQDNFQEVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(20-2)8-17-21(18,19)14-7-11(3-6-13(14)15)9-16-12-4-5-12/h3,6-7,10,12,16-17H,4-5,8-9H2,1-2H3.
What are the key properties of 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide?
2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102701595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).