5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide

C14H16ClNO3S3 — CID 30944322

IUPAC5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S3/c15-12-3-4-13(21-12)22(17,18)16-10-14(5-7-19-8-6-14)11-2-1-9-20-11/h1-4,9,16H,5-8,10H2
InChIKeyPWCQLAXHAIVDLN-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.49
Rot. Bonds5

About 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 30944322) has the molecular formula C14H16ClNO3S3 and a molecular weight of 377.94 g/mol. Its IUPAC name is 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID30944322
Molecular FormulaC14H16ClNO3S3
Molecular Weight377.94 g/mol
Exact Mass377.00
IUPAC Name5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO3S3/c15-12-3-4-13(21-12)22(17,18)16-10-14(5-7-19-8-6-14)11-2-1-9-20-11/h1-4,9,16H,5-8,10H2
InChIKeyPWCQLAXHAIVDLN-UHFFFAOYSA-N
XLogP3.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944278
4-fluoro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944280
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
4-methoxy-3,5-dimethyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944380
5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
CID 46968329
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
N-[(1-phenylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 42269285
5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 121179141
2-(4-thiophen-2-yloxan-4-yl)ethanamine
CID 83820999
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
2,3,4,5,6-pentamethyl-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzenesulfonamide
CID 30943352
2-cyano-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 110731431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide (CID 30944322) is 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is PWCQLAXHAIVDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S3/c15-12-3-4-13(21-12)22(17,18)16-10-14(5-7-19-8-6-14)11-2-1-9-20-11/h1-4,9,16H,5-8,10H2.
What are the key properties of 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 377.94 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 30944322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).