N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide

C10H16ClNO2S2 — CID 63396974

IUPACN-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H16ClNO2S2/c1-9(2)12(7-4-6-11)16(13,14)10-5-3-8-15-10/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyOPDKLEHUNIANRA-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.78
Rot. Bonds6

About N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide

N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 63396974) has the molecular formula C10H16ClNO2S2 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID63396974
Molecular FormulaC10H16ClNO2S2
Molecular Weight281.83 g/mol
Exact Mass281.03
IUPAC NameN-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide
SMILESCC(C)N(CCCCl)S(=O)(=O)c1cccs1
InChIInChI=1S/C10H16ClNO2S2/c1-9(2)12(7-4-6-11)16(13,14)10-5-3-8-15-10/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyOPDKLEHUNIANRA-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 80671711
N-(2-cyanoethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 55206830
2-[propan-2-yl(thiophen-2-ylsulfonyl)amino]acetic acid
CID 60827657
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900
N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide
CID 63397170
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-(3-chloropropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 63396675
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzenesulfonamide
CID 23323135
N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 10381159
N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
CID 63396454
N-[2-(4-chlorophenyl)ethyl]-N-(difluoromethyl)thiophene-2-sulfonamide
CID 2374178
N-[3-(4-fluorophenoxy)propyl]-N-methylthiophene-2-sulfonamide
CID 39967068

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide (CID 63396974) is N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide is CC(C)N(CCCCl)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is OPDKLEHUNIANRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2S2/c1-9(2)12(7-4-6-11)16(13,14)10-5-3-8-15-10/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide?
N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 281.83 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 63396974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).