5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride

C9H14ClNO4S3 — CID 63687488

IUPAC5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESCC(C)(C)S(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H14ClNO4S3/c1-9(2,3)18(14,15)11-6-7-4-5-8(16-7)17(10,12)13/h4-5,11H,6H2,1-3H3
InChIKeyRDULQYXYGQDAPR-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.89
Rot. Bonds4

About 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride

5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride (PubChem CID 63687488) has the molecular formula C9H14ClNO4S3 and a molecular weight of 331.87 g/mol. Its IUPAC name is 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride
PubChem CID63687488
Molecular FormulaC9H14ClNO4S3
Molecular Weight331.87 g/mol
Exact Mass330.98
IUPAC Name5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride
SMILESCC(C)(C)S(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C9H14ClNO4S3/c1-9(2,3)18(14,15)11-6-7-4-5-8(16-7)17(10,12)13/h4-5,11H,6H2,1-3H3
InChIKeyRDULQYXYGQDAPR-UHFFFAOYSA-N
XLogP1.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride 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

5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 63687132
5-[2-(3-methylpentan-3-ylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 106331485
5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173395
5-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]thiophene-2-sulfonyl chloride
CID 65372931
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 55014305
5-[(octanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173393
5-[[(4-fluorobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363004
5-[[(4-bromobenzoyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 43363006
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride
CID 71416509
5-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]thiophene-2-sulfonyl chloride
CID 102801420
5-[2-(2-methylpropylamino)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65368095

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride (CID 63687488) is 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride is CC(C)(C)S(=O)(=O)NCc1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride?
The InChIKey is RDULQYXYGQDAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO4S3/c1-9(2,3)18(14,15)11-6-7-4-5-8(16-7)17(10,12)13/h4-5,11H,6H2,1-3H3.
What are the key properties of 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride?
5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride has a molecular weight of 331.87 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylsulfonylamino)methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 63687488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).