2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide

C14H21BrN2O2S — CID 114364308

IUPAC2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(CNC2CC2)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O2S/c1-3-6-17-20(18,19)13-8-11(7-10(2)14(13)15)9-16-12-4-5-12/h7-8,12,16-17H,3-6,9H2,1-2H3
InChIKeyHTLMGUHNIGSNEX-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.70
Rot. Bonds7

About 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide

2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide (PubChem CID 114364308) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide
PubChem CID114364308
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC Name2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(CNC2CC2)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O2S/c1-3-6-17-20(18,19)13-8-11(7-10(2)14(13)15)9-16-12-4-5-12/h7-8,12,16-17H,3-6,9H2,1-2H3
InChIKeyHTLMGUHNIGSNEX-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(cyclopropylamino)methyl]-N,3-dimethylbenzenesulfonamide
CID 114364377
2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentylbenzenesulfonamide
CID 106058377
N-butyl-5-[(cyclopropylamino)methyl]-2,3-difluorobenzenesulfonamide
CID 105120221
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
2-bromo-N-(cyclobutylmethyl)-5-(ethylaminomethyl)-3-methylbenzenesulfonamide
CID 106024958
2-bromo-3-methyl-5-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551902
2-bromo-3-methyl-N-propan-2-yl-5-(propylaminomethyl)benzenesulfonamide
CID 114364335
2-bromo-N-(2-cyclobutylethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363296
3-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-methylbenzenesulfonamide
CID 115409061
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
CID 106024888
5-[(cyclopropylamino)methyl]-3-fluoro-2-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063778
2,5-dibromo-N-[2-(cyclopropylamino)ethyl]-4-methylbenzenesulfonamide
CID 81326640

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide (CID 114364308) is 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(CNC2CC2)cc(C)c1Br.
What is the InChIKey of 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide?
The InChIKey is HTLMGUHNIGSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-3-6-17-20(18,19)13-8-11(7-10(2)14(13)15)9-16-12-4-5-12/h7-8,12,16-17H,3-6,9H2,1-2H3.
What are the key properties of 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide?
2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(cyclopropylamino)methyl]-3-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 114364308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).