4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide

C14H18ClNO2S3 — CID 116815238

IUPAC4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H18ClNO2S3/c15-7-1-2-10-21(17,18)16(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h3-6,8-9H,1-2,7,10-12H2
InChIKeyJOODIGFIDKICBQ-UHFFFAOYSA-N
MW363.96 g/mol
LogP4.16
Rot. Bonds9

About 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide

4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide (PubChem CID 116815238) has the molecular formula C14H18ClNO2S3 and a molecular weight of 363.96 g/mol. Its IUPAC name is 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
PubChem CID116815238
Molecular FormulaC14H18ClNO2S3
Molecular Weight363.96 g/mol
Exact Mass363.02
IUPAC Name4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C14H18ClNO2S3/c15-7-1-2-10-21(17,18)16(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h3-6,8-9H,1-2,7,10-12H2
InChIKeyJOODIGFIDKICBQ-UHFFFAOYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.96
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)butane-1-sulfonamide
CID 79494758
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
2-(5-chloropentyl)thiophene
CID 4912993
N-[3-[bis(thiophen-2-ylmethyl)sulfamoyl]propyl]-3-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 118620774
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
4-thiophen-2-ylbutane-1-sulfonyl chloride
CID 98701224
N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide
CID 54972047
2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79494602
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 60952712
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide (CID 116815238) is 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is JOODIGFIDKICBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2S3/c15-7-1-2-10-21(17,18)16(11-13-5-3-8-19-13)12-14-6-4-9-20-14/h3-6,8-9H,1-2,7,10-12H2.
What are the key properties of 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide?
4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 363.96 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(thiophen-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 116815238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).