5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide

C14H21ClN2O2S — CID 106006680

IUPAC5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C14H21ClN2O2S/c15-13-8-7-12(16)10-14(13)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9,16H2
InChIKeyXTDAFCUURAGIQS-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.17
Rot. Bonds6

About 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide

5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide (PubChem CID 106006680) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
PubChem CID106006680
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCCCC2CCCC2)c1
InChIInChI=1S/C14H21ClN2O2S/c15-13-8-7-12(16)10-14(13)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9,16H2
InChIKeyXTDAFCUURAGIQS-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
4-chloro-3-(2-cyclopentylethylsulfonyl)aniline
CID 114192907
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
5-amino-3-bromo-N-(3-cyclopentylpropyl)-2-fluorobenzenesulfonamide
CID 106006732
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106016313
6-amino-5-chloro-N-(3-cyclopentylpropyl)pyridine-3-sulfonamide
CID 106014920
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 113498451
2,4-dibromo-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012519
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide
CID 103989437

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide (CID 106006680) is 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)NCCCC2CCCC2)c1.
What is the InChIKey of 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
The InChIKey is XTDAFCUURAGIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c15-13-8-7-12(16)10-14(13)20(18,19)17-9-3-6-11-4-1-2-5-11/h7-8,10-11,17H,1-6,9,16H2.
What are the key properties of 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide?
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide is sourced from PubChem (CID 106006680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).