4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide

C14H20BrNO2S — CID 62067489

IUPAC4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCC2)ccc1Br
InChIInChI=1S/C14H20BrNO2S/c1-11-9-13(7-8-14(11)15)19(17,18)16(2)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyZUGGXSOVWTYHTB-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.57
Rot. Bonds4

About 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide

4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 62067489) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
PubChem CID62067489
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CCCC2)ccc1Br
InChIInChI=1S/C14H20BrNO2S/c1-11-9-13(7-8-14(11)15)19(17,18)16(2)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3
InChIKeyZUGGXSOVWTYHTB-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 106611161
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide
CID 63687042
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
3-amino-N-(cyclobutylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 62860940

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide (CID 62067489) is 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CCCC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is ZUGGXSOVWTYHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-11-9-13(7-8-14(11)15)19(17,18)16(2)10-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide?
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 62067489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).