N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide

C11H11ClN2O2S2 — CID 103099480

IUPACN-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(N)c2)sc1Cl
InChIInChI=1S/C11H11ClN2O2S2/c1-7-5-10(17-11(7)12)18(15,16)14-9-4-2-3-8(13)6-9/h2-6,14H,13H2,1H3
InChIKeyCTWPBBRIGSHYSO-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.09
Rot. Bonds3

About N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide

N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide (PubChem CID 103099480) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
PubChem CID103099480
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC NameN-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(N)c2)sc1Cl
InChIInChI=1S/C11H11ClN2O2S2/c1-7-5-10(17-11(7)12)18(15,16)14-9-4-2-3-8(13)6-9/h2-6,14H,13H2,1H3
InChIKeyCTWPBBRIGSHYSO-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
N-(3-amino-5-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 107334288
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
N-(5-amino-2-fluorophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099479
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43602656
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
5-chloro-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 103100304
5-bromo-4-methyl-N-(3-sulfamoylphenyl)thiophene-2-sulfonamide
CID 79912739

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide (CID 103099480) is N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(N)c2)sc1Cl.
What is the InChIKey of N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
The InChIKey is CTWPBBRIGSHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c1-7-5-10(17-11(7)12)18(15,16)14-9-4-2-3-8(13)6-9/h2-6,14H,13H2,1H3.
What are the key properties of N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide?
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide has a molecular weight of 302.81 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103099480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).