3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide

C14H17ClN2O2S2 — CID 61468769

IUPAC3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc(N)c1C
InChIInChI=1S/C14H17ClN2O2S2/c1-8-6-11(7-12(16)9(8)2)21(18,19)17-10(3)13-4-5-14(15)20-13/h4-7,10,17H,16H2,1-3H3
InChIKeyPRLJSUOAUBSMBA-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.64
Rot. Bonds4

About 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide (PubChem CID 61468769) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
PubChem CID61468769
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc(N)c1C
InChIInChI=1S/C14H17ClN2O2S2/c1-8-6-11(7-12(16)9(8)2)21(18,19)17-10(3)13-4-5-14(15)20-13/h4-7,10,17H,16H2,1-3H3
InChIKeyPRLJSUOAUBSMBA-UHFFFAOYSA-N
XLogP3.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.64
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

3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 115421448
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 61468700
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 116791724
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 61468882
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003829
3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43372033
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 55627830
methyl 4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 34154732
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 46406797
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
CID 61472334
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide (CID 61468769) is 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc(N)c1C.
What is the InChIKey of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide?
The InChIKey is PRLJSUOAUBSMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-8-6-11(7-12(16)9(8)2)21(18,19)17-10(3)13-4-5-14(15)20-13/h4-7,10,17H,16H2,1-3H3.
What are the key properties of 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide?
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 61468769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).