5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide

C14H21ClN2O2S2 — CID 106608726

IUPAC5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC2CC2)CC2CCCN2)sc1Cl
InChIInChI=1S/C14H21ClN2O2S2/c1-10-7-13(20-14(10)15)21(18,19)17(8-11-4-5-11)9-12-3-2-6-16-12/h7,11-12,16H,2-6,8-9H2,1H3
InChIKeyLHPYQDZJQBCORA-UHFFFAOYSA-N
MW348.92 g/mol
LogP2.86
Rot. Bonds6

About 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106608726) has the molecular formula C14H21ClN2O2S2 and a molecular weight of 348.92 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID106608726
Molecular FormulaC14H21ClN2O2S2
Molecular Weight348.92 g/mol
Exact Mass348.07
IUPAC Name5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC2CC2)CC2CCCN2)sc1Cl
InChIInChI=1S/C14H21ClN2O2S2/c1-10-7-13(20-14(10)15)21(18,19)17(8-11-4-5-11)9-12-3-2-6-16-12/h7,11-12,16H,2-6,8-9H2,1H3
InChIKeyLHPYQDZJQBCORA-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631097
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711
5-chloro-N,4-dimethyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106630812
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608787
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
5-chloro-N-cyclopropyl-4-methyl-N-(piperidin-3-ylmethyl)thiophene-2-sulfonamide
CID 106631230
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
5-bromo-N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106609210
5-bromo-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106607862
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608687
4-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607116

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide (CID 106608726) is 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)N(CC2CC2)CC2CCCN2)sc1Cl.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is LHPYQDZJQBCORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S2/c1-10-7-13(20-14(10)15)21(18,19)17(8-11-4-5-11)9-12-3-2-6-16-12/h7,11-12,16H,2-6,8-9H2,1H3.
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 348.92 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106608726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).