4-amino-3-chloro-N-pentylbenzenesulfonamide

C11H17ClN2O2S — CID 115329349

IUPAC4-amino-3-chloro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-2-3-4-7-14-17(15,16)9-5-6-11(13)10(12)8-9/h5-6,8,14H,2-4,7,13H2,1H3
InChIKeyCKDUJGQGMPYGMI-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.39
Rot. Bonds6

About 4-amino-3-chloro-N-pentylbenzenesulfonamide

4-amino-3-chloro-N-pentylbenzenesulfonamide (PubChem CID 115329349) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 4-amino-3-chloro-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-pentylbenzenesulfonamide
PubChem CID115329349
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name4-amino-3-chloro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C11H17ClN2O2S/c1-2-3-4-7-14-17(15,16)9-5-6-11(13)10(12)8-9/h5-6,8,14H,2-4,7,13H2,1H3
InChIKeyCKDUJGQGMPYGMI-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.39
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

3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
4-amino-3-chloro-N-prop-2-ynylbenzenesulfonamide
CID 115329264
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
3-chloro-4-[(cyclopropylamino)methyl]-N-pentylbenzenesulfonamide
CID 106058257
4-amino-3-chloro-N-(2-pyridin-1-ium-1-ylethyl)benzenesulfonamide
CID 70579139
5-amino-1-N,3-N-didodecylbenzene-1,3-disulfonamide
CID 91728635

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-pentylbenzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-pentylbenzenesulfonamide (CID 115329349) is 4-amino-3-chloro-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-pentylbenzenesulfonamide?
The InChIKey is CKDUJGQGMPYGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-2-3-4-7-14-17(15,16)9-5-6-11(13)10(12)8-9/h5-6,8,14H,2-4,7,13H2,1H3.
What are the key properties of 4-amino-3-chloro-N-pentylbenzenesulfonamide?
4-amino-3-chloro-N-pentylbenzenesulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-pentylbenzenesulfonamide is sourced from PubChem (CID 115329349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).