N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H17ClN2O2S2 — CID 106060779

IUPACN-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1sccc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2S2/c1-10(2)16-9-13-14(7-8-20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,10,16-17H,9H2,1-2H3
InChIKeyIBXCPOJZBBARDI-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.70
Rot. Bonds6

About N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106060779) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106060779
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC NameN-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1sccc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2S2/c1-10(2)16-9-13-14(7-8-20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,10,16-17H,9H2,1-2H3
InChIKeyIBXCPOJZBBARDI-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106061210
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106059096
N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106086895
N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106063128
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
2-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084380
N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106060794
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
2-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)thiophene-3-sulfonamide
CID 106056142
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
N-(4-chloro-2-iodophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106087421

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106060779) is N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CC(C)NCc1sccc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is IBXCPOJZBBARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-10(2)16-9-13-14(7-8-20-13)21(18,19)17-12-5-3-11(15)4-6-12/h3-8,10,16-17H,9H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106060779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).