2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide

C14H16ClN3O2S — CID 60986470

IUPAC2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-18(2)12-6-4-11(5-7-12)17-21(19,20)14-9-10(15)3-8-13(14)16/h3-9,17H,16H2,1-2H3
InChIKeyATLLYSXHTVQLQH-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.79
Rot. Bonds4

About 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide

2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide (PubChem CID 60986470) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
PubChem CID60986470
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2N)cc1
InChIInChI=1S/C14H16ClN3O2S/c1-18(2)12-6-4-11(5-7-12)17-21(19,20)14-9-10(15)3-8-13(14)16/h3-9,17H,16H2,1-2H3
InChIKeyATLLYSXHTVQLQH-UHFFFAOYSA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Idra 21
CID 3688
Glyparamide
CID 246940
5-Amino-N-(4-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3422328
2,5-dichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 788793
5-Amino-N-(2-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3767555
2,5-dichloro-N-methyl-N-phenylbenzenesulfonamide
CID 767728
3-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 2489123
Tocris-1219
CID 6604830
4-amino-N-(4-chlorophenyl)-N-methylbenzenesulfonamide
CID 16126699
7-Chloro-4-methyl-2,3-dihydro-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 16732325
Benzenesulfonanilide, 4,4'-dichloro-N-methyl-
CID 69432
5-amino-2-chloro-N-ethyl-N-phenylbenzene-1-sulfonamide
CID 3787100

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide (CID 60986470) is 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2N)cc1.
What is the InChIKey of 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
The InChIKey is ATLLYSXHTVQLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-18(2)12-6-4-11(5-7-12)17-21(19,20)14-9-10(15)3-8-13(14)16/h3-9,17H,16H2,1-2H3.
What are the key properties of 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide?
2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 60986470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).