2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide

C14H16ClNO2S3 — CID 102750604

IUPAC2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H16ClNO2S3/c1-10-9-20-13(7-15)14(10)21(17,18)16(11-4-5-11)8-12-3-2-6-19-12/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyKKRKSHNNIJJBFJ-UHFFFAOYSA-N
MW361.94 g/mol
LogP4.21
Rot. Bonds6

About 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide

2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 102750604) has the molecular formula C14H16ClNO2S3 and a molecular weight of 361.94 g/mol. Its IUPAC name is 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID102750604
Molecular FormulaC14H16ClNO2S3
Molecular Weight361.94 g/mol
Exact Mass361.00
IUPAC Name2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H16ClNO2S3/c1-10-9-20-13(7-15)14(10)21(17,18)16(11-4-5-11)8-12-3-2-6-19-12/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyKKRKSHNNIJJBFJ-UHFFFAOYSA-N
XLogP4.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-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

2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102752582
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102750332
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
2-(chloromethyl)-N-cycloheptyl-N,4-dimethylthiophene-3-sulfonamide
CID 102750438
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 90610868
4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3837819
N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 40754320
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 60960278
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide (CID 102750604) is 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide is Cc1csc(CCl)c1S(=O)(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is KKRKSHNNIJJBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S3/c1-10-9-20-13(7-15)14(10)21(17,18)16(11-4-5-11)8-12-3-2-6-19-12/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 361.94 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102750604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).