2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide

C14H16ClN3O2S — CID 79466950

IUPAC2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-9(10-3-2-4-11(15)7-10)18-12-5-6-14(13(16)8-12)21(17,19)20/h2-9,18H,16H2,1H3,(H2,17,19,20)
InChIKeyHNSFAELIBXSBSY-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide

2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide (PubChem CID 79466950) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
PubChem CID79466950
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-9(10-3-2-4-11(15)7-10)18-12-5-6-14(13(16)8-12)21(17,19)20/h2-9,18H,16H2,1H3,(H2,17,19,20)
InChIKeyHNSFAELIBXSBSY-UHFFFAOYSA-N
XLogP2.74
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 79467494
[4-[1-(3-chlorophenyl)ethylamino]phenyl]methanesulfonamide
CID 43745219
2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
CID 79466885
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43688525
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide (CID 79466950) is 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide?
The InChIKey is HNSFAELIBXSBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9(10-3-2-4-11(15)7-10)18-12-5-6-14(13(16)8-12)21(17,19)20/h2-9,18H,16H2,1H3,(H2,17,19,20).
What are the key properties of 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide?
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 79466950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).